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88544-94-9 molecular structure
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1-(2,3-dihydroxypropyl)-4,6-dimethyl-1,2-dihydropyrimidin-2-one

ChemBase ID: 307764
Molecular Formular: C9H14N2O3
Molecular Mass: 198.21906
Monoisotopic Mass: 198.10044232
SMILES and InChIs

SMILES:
c1(=O)n(c(cc(n1)C)C)CC(O)CO
Canonical SMILES:
Cc1cc(C)nc(=O)n1CC(CO)O
InChI:
InChI=1S/C9H14N2O3/c1-6-3-7(2)11(9(14)10-6)4-8(13)5-12/h3,8,12-13H,4-5H2,1-2H3
InChIKey:
JSVRIEDMQNZBHE-UHFFFAOYSA-N

Cite this record

CBID:307764 http://www.chembase.cn/molecule-307764.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,3-dihydroxypropyl)-4,6-dimethyl-1,2-dihydropyrimidin-2-one
IUPAC Traditional name
1-(2,3-dihydroxypropyl)-4,6-dimethylpyrimidin-2-one
Synonyms
1-(2,3-dihydroxypropyl)-4,6-dimethylpyrimidin-2(1H)-one
CAS Number
88544-94-9
MDL Number
MFCD08691664

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2850199  LogD (pH = 7.4) -1.2850196 
Log P -1.2850195  Molar Refractivity 52.5259 cm3
Polarizability 19.575327 Å3 Polar Surface Area 73.13 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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